AG01BS23

1563594-44-4 | (1S)-1-cyclobutylethan-1-ol

AG01BS23

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CAS Number	1563594-44-4
Catalog Number	AG01BS23
Chemical Name	(1S)-1-cyclobutylethan-1-ol
IUPAC Name	(1S)-1-cyclobutylethanol
InChI	InChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChI Key	PFGPCAYJUYSJJS-YFKPBYRVSA-N
MDL Number	MFCD21118017
Molecular Formula	C6H12O
Molecular Weight	100.1589
SMILES	C[C@@H](C1CCC1)O
Synonyms	1563594-44-4, (1S)-1-cyclobutylethan-1-ol, (S)-1-Cyclobutylethan-1-ol, SCHEMBL12335545, ZINC6020329, MFCD21118017, AKOS014316578, AJ-55509, CJ-12860,

Complexity	57.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	100.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.161g/mol
Monoisotopic Mass	100.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1987

Certificate of Analysis

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